5-[(3R)-3-aminopyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide

C13H19N3O3S — CID 119412777

IUPAC5-[(3R)-3-aminopyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
SMILESCc1cc(C(=O)N2CC[C@@H](N)C2)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C13H19N3O3S/c1-8-5-10(6-12(9(8)2)20(15,18)19)13(17)16-4-3-11(14)7-16/h5-6,11H,3-4,7,14H2,1-2H3,(H2,15,18,19)/t11-/m1/s1
InChIKeySZJYURIIBITLBP-LLVKDONJSA-N
MW297.38 g/mol
LogP0.12
Rot. Bonds2

About 5-[(3R)-3-aminopyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide

5-[(3R)-3-aminopyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide (PubChem CID 119412777) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 5-[(3R)-3-aminopyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-[(3R)-3-aminopyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
PubChem CID119412777
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name5-[(3R)-3-aminopyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
SMILESCc1cc(C(=O)N2CC[C@@H](N)C2)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C13H19N3O3S/c1-8-5-10(6-12(9(8)2)20(15,18)19)13(17)16-4-3-11(14)7-16/h5-6,11H,3-4,7,14H2,1-2H3,(H2,15,18,19)/t11-/m1/s1
InChIKeySZJYURIIBITLBP-LLVKDONJSA-N
XLogP0.12
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(3R)-3-aminopyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
CID 119486602
5-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-2,3-dimethylbenzenesulfonamide
CID 119638653
2,3-dimethyl-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 47109363
5-[4-(ethylaminomethyl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
CID 119647652
5-(2,6-dimethylmorpholine-4-carbonyl)-2,3-dimethylbenzenesulfonamide
CID 86977784
3-fluoro-2-methyl-5-(3-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 65388971
4-(3,4-dimethyl-5-sulfamoylbenzoyl)morpholine-2-carboxylic acid
CID 119239894
(3-aminopyrrolidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119483089
2,3-dimethyl-5-(3-methylpyrrolidine-1-carbonyl)benzenesulfonyl chloride
CID 65372321
5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
CID 120749760
2-chloro-5-(3-methoxypyrrolidine-1-carbonyl)-3-methylbenzenesulfonamide
CID 103540992
5-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
CID 70741466

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-aminopyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide?
The IUPAC name of 5-[(3R)-3-aminopyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide (CID 119412777) is 5-[(3R)-3-aminopyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-[(3R)-3-aminopyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for 5-[(3R)-3-aminopyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide is Cc1cc(C(=O)N2CC[C@@H](N)C2)cc(S(N)(=O)=O)c1C.
What is the InChIKey of 5-[(3R)-3-aminopyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide?
The InChIKey is SZJYURIIBITLBP-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-8-5-10(6-12(9(8)2)20(15,18)19)13(17)16-4-3-11(14)7-16/h5-6,11H,3-4,7,14H2,1-2H3,(H2,15,18,19)/t11-/m1/s1.
What are the key properties of 5-[(3R)-3-aminopyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide?
5-[(3R)-3-aminopyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide has a molecular weight of 297.38 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-aminopyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 119412777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).